[Wien] lapw2 -so error

[Francisco Garcia]

Hello,

I running into a lot of problems with a spin-orbit calculation. If I run
the calculation without RLOs  in case.inso, it runs fine. It only crashes
with RLOs for the p orbitals in case.inso. According to a previous paper
however, the RLOs not only lower the total energy but also affects the
density of states so they must be included. Currently the RLOs correspond
to the energies in case.in1. I would like to know if there is a way to
guess the RLO energies from, say, the non-spin-orbit DOS at low energies
far below the Fermi level.

The errors in the *dayfile and output file are reported below.

Thank you.

>   lapwso -up  -p      (20:20:09) running LAPWSO in parallel mode
      c434-202 133.387u 1.272s 2:15.09 99.6% 0+0k 3664+320io 52pf+0w
   Summary of lapwsopara:
   c434-202      user=133.387    wallclock=135.09
0.068u 0.080s 2:15.85 0.1%      0+0k 0+280io 0pf+0w
>   lapw2 -up -p   -c -so       (20:22:25) running LAPW2 in parallel mode
**  LAPW2 crashed!
0.875u 0.413s 0:01.43 89.5%     0+0k 160+3512io 142pf+0w

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
lapw2c             0000000000516790  Unknown               Unknown  Unknown
lapw2c             000000000050F8BC  Unknown               Unknown  Unknown
lapw2c             00000000004D1BB0  Unknown               Unknown  Unknown
lapw2c             0000000000446481  fermi5_                   123
fermi5_tmp_.F
lapw2c             0000000000438CE9  fermi_                    107
fermi_tmp_.F
lapw2c             000000000047A787  MAIN__                    278
lapw2_tmp_.F
lapw2c             0000000000403B3C  Unknown               Unknown  Unknown
libc.so.6          0000003B3681ECDD  Unknown               Unknown  Unknown
lapw2c             0000000000403A39  Unknown               Unknown  Unknown
cp: cannot stat `.in.tmp': No such file or directory

>   stop error
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